SCHEMBL7771305

SCHEMBL7771305

Clc1ccc(OP(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1.[Ni]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
APP P05067 1/20 0.39
HPGD P15428 2/20 0.35
IDO1 P14902 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL593487 0.97 LMNA (0.47) LMNACYP2A6MAOBMAOAMEN1
Hydrochloric Acid SCHEMBL11098692 0.94 LMNA (0.44) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL8768246 0.87 TSHR (0.46) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL11470964 0.84 LMNA (0.40) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL10491036 0.82 HPGD (0.41) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL11048181 0.78 LMNA (0.44) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL10889093 0.77 HTR2A (0.39) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL5503603 0.76 LMNA (0.42) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL594537 0.76 LMNA (0.42) LMNACYP2A6MAOBMAOAMEN1
SCHEMBL4809479 0.74 ACHE (0.52) LMNACYP2A6MEN1KMT2ACA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417325-B1 PROCESS FOR PRODUCING NORCAMPHANEDICARBONITRILES MITSUI CHEMICALS INC (JP) 2001-07-11 EP claimed
US-5169971-A Hydrocyanation; zero-valent nickel complex catalyst and a lewis acid; efficient; high selectivity MITSUI TOATSU CHEMICALS, INC. (JP) 1992-12-08 US claimed
EP-0417325-A1 PROCESS FOR PRODUCING NORCAMPHANEDICARBONITRILES MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-03-20 EP claimed
EP-0438638-B1 Process for producing norcamphane dicarbonitriles MITSUI CHEMICALS INC (JP) 2000-07-05 EP disclosed
US-5087722-A Catalytic hydrocyanation of bicyclo(2.2.1)-5-heptene-2-carbonitrile MITSUI TOATSU CHEMICALS, INC. (JP) 1992-02-11 US disclosed
EP-0438638-A1 Process for producing norcamphane dicarbonitriles MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-07-31 EP disclosed